UCSF

ZINC62955243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: [1-(aminomethyl)cyclohexyl]-(8-azaspiro[4.5]decan-8-yl)methanone [1-(aminomethyl)cyclohexyl]-(8-a…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 6.3 -48.78 3 3 1 48 279.448 2 ↓
Hi High (pH 8-9.5) 2.34 5.96 -7.76 2 3 0 46 278.44 2 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.